Geometry & MOs

Info

ID:	249653
PubChem CID:	103091158
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	213.115364
ΔH_f, kcal/mol:	-44.18
Dipole, Da:	3.02
IP(EA), eV:	-9.5(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-quinolin-8-ylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C(\C)/C(C)O)[N+](=O)[O-]

DOS

IR

Vibrations